Purmorphamine | CAS No. 483367-10-8

Purmorphamine

Basic Information

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CAS Number

483367-10-8

Molecular Formula

C31H32N6O2

Molecular Weight

520.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

210-212°C

Boiling Point

790.3±70.0°C at 760 mmHg

Solubility

Insuluble (3.4E-5 g/L) (25 ºC),

SMILES

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C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2

InChI

InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)

InChIKey

FYBHCRQFSFYWPY-UHFFFAOYSA-N

LogP

6.857200000000006

Topological Polar Surface Area

77.33000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(1-NAPHTHOXY)-6-(4-MORPHOLINOANILINO)-9-CYCLOHEXYLPURINE
PURMORPHAMINE
9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9H-purin-6-amine
9-Cyclohexyl-N-[(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9H-purin-6-amine
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)
9H-Purin-6-amine (9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)
9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-
Purmorphamine

MDL Number

MFCD09037557

FAQ

What are the physical and chemical properties of Purmorphamine (CAS: 483367-10-8)?

Purmorphamine is a small molecule compound with a crystalline form. Its molecular weight is approximately 299.32 g/mol. Purmorphamine is slightly soluble in water but highly soluble in organic solvents such as DMSO and DMF. It is relatively stable in air and under standard laboratory conditions. Reactivity is moderate, with potential for hydrolysis under basic conditions.

How is Purmorphamine (CAS: 483367-10-8) typically synthesized?

Purmorphamine is synthesized through a multi-step process involving the condensation of 2-aminobenzoxazole and 2,3-dihydro-1H-inden-1-one. Commonly used catalysts include palladium(II) acetate and triphenylphosphine. The overall yield is moderate, and the method provides good selectivity for the desired product.

What industries use Purmorphamine (CAS: 483367-10-8)?

Purmorphamine is primarily used in the pharmaceutical industry for its role as a small molecule activator of the Hedgehog pathway. It is also utilized in the polymer industry for its potential to enhance material properties. Additionally, it is explored in the field of semiconductors for its electronic and optical properties.

What precautions should be taken when handling Purmorphamine (CAS: 483367-10-8)?

Purmorphamine should be handled with personal protective equipment (PPE) including gloves and safety goggles. It is advisable to conduct experiments in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate disposal methods as outlined in the Safety Data Sheet (SDS). Storage should be in a cool, dark place away from incompatible materials.